Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79f4c0cc44080db90f3c31bcd7444b39",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 91.217,
"b": 91.217,
"c": 147.815,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.93950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.820],
"number_observations_unique": 21280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.820],
"number_observations_unique": 1981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.850
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 4.4
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 2107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.648
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.050,1.960],
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.160,2.050],
"number_observations_unique": 2120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.290,2.160],
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.470,2.290],
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [2.720,2.470],
"number_observations_unique": 2130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [3.110,2.720],
"number_observations_unique": 2157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
{
"resolution_limits": [3.920,3.110],
"number_observations_unique": 2175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.1
}
]
},
{
"resolution_limits": [50.000,3.920],
"number_observations_unique": 2252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.8
}
]
}
]
}